2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane

C19H36O — CID 57068122

IUPAC2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane
SMILESC=C(CCCC(C)(C)C(C)(C)CCC)CC1CCCO1
InChIInChI=1S/C19H36O/c1-7-12-18(3,4)19(5,6)13-8-10-16(2)15-17-11-9-14-20-17/h17H,2,7-15H2,1,3-6H3
InChIKeyFPZWNDZCDUSJAR-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.13
Rot. Bonds9

About 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane

2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane (PubChem CID 57068122) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane.

Molecular Properties

Compound Name2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane
PubChem CID57068122
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane
SMILESC=C(CCCC(C)(C)C(C)(C)CCC)CC1CCCO1
InChIInChI=1S/C19H36O/c1-7-12-18(3,4)19(5,6)13-8-10-16(2)15-17-11-9-14-20-17/h17H,2,7-15H2,1,3-6H3
InChIKeyFPZWNDZCDUSJAR-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane?
The IUPAC name of 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane (CID 57068122) is 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane.
What is the SMILES notation for 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane?
The canonical SMILES for 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane is C=C(CCCC(C)(C)C(C)(C)CCC)CC1CCCO1.
What is the InChIKey of 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane?
The InChIKey is FPZWNDZCDUSJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-7-12-18(3,4)19(5,6)13-8-10-16(2)15-17-11-9-14-20-17/h17H,2,7-15H2,1,3-6H3.
What are the key properties of 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane?
2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane has a molecular weight of 280.50 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6,7,7-tetramethyl-2-methylidenedecyl)oxolane is sourced from PubChem (CID 57068122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).